1XPZ
Structure of human carbonic anhydrase II with 4-[4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2004-02-28 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.569, 72.792, 75.165 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.690 - 2.020 |
| R-factor | 0.202 |
| Rwork | 0.196 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1UGG.pdb with alanine-65 (wild-type sequence) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.083 | 0.177 |
| Number of reflections | 15968 | |
| <I/σ(I)> | 11.3 | 11.3 |
| Completeness [%] | 98.1 | 95.5 |
| Redundancy | 5.1 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 0.1M Tris-HCl, 1mM zinc(II) sulfate, 2.275M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 8.0 |
